2-[[2-chloro-6-(furan-2-yl)purin-9-yl]methoxy]ethyl-trimethylsilane

C15H19ClN4O2Si — CID 59835019

IUPAC2-[[2-chloro-6-(furan-2-yl)purin-9-yl]methoxy]ethyl-trimethylsilane
SMILESC[Si](C)(C)CCOCn1cnc2c(-c3ccco3)nc(Cl)nc21
InChIInChI=1S/C15H19ClN4O2Si/c1-23(2,3)8-7-21-10-20-9-17-13-12(11-5-4-6-22-11)18-15(16)19-14(13)20/h4-6,9H,7-8,10H2,1-3H3
InChIKeyYDVFKQIEAZHKOV-UHFFFAOYSA-N
MW350.88 g/mol
LogP4.05
Rot. Bonds6

About 2-[[2-chloro-6-(furan-2-yl)purin-9-yl]methoxy]ethyl-trimethylsilane

2-[[2-chloro-6-(furan-2-yl)purin-9-yl]methoxy]ethyl-trimethylsilane (PubChem CID 59835019) has the molecular formula C15H19ClN4O2Si and a molecular weight of 350.88 g/mol. Its IUPAC name is 2-[[2-chloro-6-(furan-2-yl)purin-9-yl]methoxy]ethyl-trimethylsilane.

Molecular Properties

Compound Name2-[[2-chloro-6-(furan-2-yl)purin-9-yl]methoxy]ethyl-trimethylsilane
PubChem CID59835019
Molecular FormulaC15H19ClN4O2Si
Molecular Weight350.88 g/mol
Exact Mass350.10
IUPAC Name2-[[2-chloro-6-(furan-2-yl)purin-9-yl]methoxy]ethyl-trimethylsilane
SMILESC[Si](C)(C)CCOCn1cnc2c(-c3ccco3)nc(Cl)nc21
InChIInChI=1S/C15H19ClN4O2Si/c1-23(2,3)8-7-21-10-20-9-17-13-12(11-5-4-6-22-11)18-15(16)19-14(13)20/h4-6,9H,7-8,10H2,1-3H3
InChIKeyYDVFKQIEAZHKOV-UHFFFAOYSA-N
XLogP4.05
TPSA65.97 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.88
LogP ≤ 54.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[[2-chloro-6-(furan-2-yl)purin-9-yl]methoxy]ethyl-trimethylsilane?
The IUPAC name of 2-[[2-chloro-6-(furan-2-yl)purin-9-yl]methoxy]ethyl-trimethylsilane (CID 59835019) is 2-[[2-chloro-6-(furan-2-yl)purin-9-yl]methoxy]ethyl-trimethylsilane.
What is the SMILES notation for 2-[[2-chloro-6-(furan-2-yl)purin-9-yl]methoxy]ethyl-trimethylsilane?
The canonical SMILES for 2-[[2-chloro-6-(furan-2-yl)purin-9-yl]methoxy]ethyl-trimethylsilane is C[Si](C)(C)CCOCn1cnc2c(-c3ccco3)nc(Cl)nc21.
What is the InChIKey of 2-[[2-chloro-6-(furan-2-yl)purin-9-yl]methoxy]ethyl-trimethylsilane?
The InChIKey is YDVFKQIEAZHKOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19ClN4O2Si/c1-23(2,3)8-7-21-10-20-9-17-13-12(11-5-4-6-22-11)18-15(16)19-14(13)20/h4-6,9H,7-8,10H2,1-3H3.
What are the key properties of 2-[[2-chloro-6-(furan-2-yl)purin-9-yl]methoxy]ethyl-trimethylsilane?
2-[[2-chloro-6-(furan-2-yl)purin-9-yl]methoxy]ethyl-trimethylsilane has a molecular weight of 350.88 g/mol, XLogP of 4.05, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-chloro-6-(furan-2-yl)purin-9-yl]methoxy]ethyl-trimethylsilane is sourced from PubChem (CID 59835019), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).